| Identification | More | [Name]
(S)-(-)-2-Methyl-1-butanol | [CAS]
1565-80-6 | [Synonyms]
1-PENTANOL
1-PENTANOL ALCOHOL
1-PENTYL ALCOHOL
ALCOHOL C5
AMYL ALCOHOL
AMYL ALCOHOL, N-
AMYL ALCOHOL, NORMAL
BUTYLCARBINOL
FEMA 2056
FUSEL OIL
N-AMYL ALCOHOL
N-BUTYLCARBINOL
N-PENTANOL
N-PENTYL ALCOHOL
PENTAN-1-OL
PENTYL ALCOHOL
PRI-N-AMYL ALCOHOL
WATER STANDARD, AMYL ALCOHOL
(s)-1-butano
(S)-2-methyl-butan-1-ol | [EINECS(EC#)]
200-752-1 | [Molecular Formula]
C5H12O | [MDL Number]
MFCD00002977 | [Molecular Weight]
88.15 | [MOL File]
1565-80-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless liquid | [Melting point ]
-70 °C | [alpha ]
-5.8 º (neat 23 ºC) | [Boiling point ]
136-138 °C(lit.) | [density ]
0.811 g/mL at 25 °C(lit.)
| [vapor density ]
3 (vs air)
| [vapor pressure ]
1 mm Hg ( 13.6 °C)
| [refractive index ]
n20/D 1.409(lit.)
| [Fp ]
120 °F
| [storage temp. ]
2-8°C | [solubility ]
soluble in Chloroform, Ethanol | [form ]
clear liquid | [pka]
15.24±0.10(Predicted) | [color ]
Colorless to Almost colorless | [Odor]
ethereal fresh | [Optical Rotation]
[α]23/D 5.8°, neat | [Water Solubility ]
36 g/L (30 ºC) | [Merck ]
6030 | [BRN ]
1718809 | [Dielectric constant]
15.8（20℃） | [InChI]
1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1 | [InChIKey]
QPRQEDXDYOZYLA-YFKPBYRVSA-N | [SMILES]
CC[C@H](C)CO | [LogP]
1.223 (est) | [CAS DataBase Reference]
1565-80-6(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Butanol, 2-methyl-, (S)-(1565-80-6) | [EPA Substance Registry System]
1565-80-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R10:Flammable.
R20:Harmful by inhalation.
R37:Irritating to the respiratory system.
R66:Repeated exposure may cause skin dryness or cracking. | [Safety Statements ]
S46:If swallowed, seek medical advice immediately and show this container or label .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 1105 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
SB9800000
| [TSCA ]
TSCA listed | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29051990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Inhalation
Flam. Liq. 3
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colourless liquid | [Uses]
(S)-(-)-2-Methylbutanol can be used as a reactant to prepare:
- Methylbutyl-2-(3-thienyl)acetate (MBTA) by esterification reaction with 3-thiophene acetic acid in the presence of an acid catalyst.
- (2S)-2-Methyl-1-butanesulfenyl chloride by reacting with thioacetic acid using Mitsunobu reaction conditions.
- (+)-Violapyrone C and (-)-myxalamide A.
| [Uses]
(S)-(?)-2-Methylbutanol can be used to prepare:
- (S)-(?)-2-Methyl-1-butyloxy carbonyl amino hexyl isocyanate (MBI), which is used to synthesize isocyanate copolymers.
- Chiral alkoxynaphathoic acid derivatives having liquid crystalline properties.
- 3,4-Bis[(S)-2-methylbutoxy]thiophene, a key intermediate for the synthesis of polythiophenes.
| [Definition]
ChEBI: The (S)-enantiomer of 2-methylbutan-1-ol. | [General Description]
rest mainly 3-methyl-1-butanol | [Purification Methods]
Reflux the butanol with CaO, distil, reflux with magnesium and again fractionally distil it. A small sample of highly purified material is obtained by fractional crystallisation after conversion into a suitable ester such as the trinitrophthalate or the 3-nitrophthalate. The latter is converted to the cinchonine salt in acetone and recrystallised from CHCl3 by adding pentane. The salt is saponified, extracted with ether, and fractionally distilled. [Terry et al. J Chem Eng Data 5 403 1960, Beilstein 1 IV 1666.] |
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